Fragment-based Peptide Docking

Fragment-based Peptide Docking

Brought to you by: tiomiya

Downloads: 0 This Week

Last Update: 2017-04-11

Add to Preferred Sources

A fortran based fragmentizing-docking-remerging program for long peptides (10-16 amino acids) docking simulations.
This program is compiled by intel fortran at OpenSUSE 64-bits. Designed for 4GPU servers.

NOTE: AMBER software packages, AMBER Tools and pmemd.cuda must be normally installed to fully operate this program. However you can still sample massive initial structures (500k~2m peptide conformations) without AMBER.

Reference:
http://pubs.rsc.org/en/content/articlelanding/2017/cp/c6cp07136h

Supporter: JM Liao, tiomiya@hotmail.com

Project Activity

See All Activity >

Follow Fragment-based Peptide Docking

Fragment-based Peptide Docking Web Site

Other Useful Business Software

Veeam Data Platform v13.1 - Get Your Free Trial Icon

Veeam Data Platform v13.1 - Get Your Free Trial

Secure by design, portable by default. Recover clean, fast, anywhere. Start a free trial.

Try Veeam Data Platform today. Experience the unified platform that's secure by design, portable by default, and proven to recover clean, fast, and anywhere.

Try it Free

Rate This Project

Login To Rate This Project

User Reviews

Be the first to post a review of Fragment-based Peptide Docking!

Additional Project Details

Registered

2017-02-28

Report inappropriate content

$300 Free Credits to Build on Google Cloud

New customers can spin up VMs, build with AI, and query data at no cost.

Put your $300 in credit toward real workloads, then keep building with free monthly usage for 20+ products. No commitment and no charge until you upgrade.

Start Free

Recommended Projects

LineageOS 17.1 Amber
# Инструкция по сборке LineageOS 17.1 для Amber Этот архив содержит полностью настроенные исходные коды (Device, Vendor, Kernel) для сборки рабочей прошивки. Все ошибки компиляции (Kconfig, Metalava API) уже исправлены. ## Как развернуть исходники: 1. Скачайте архив `CompileLineageOS17-1-Amber-v1.tar.gz`. 2. Распакуйте его в корень папки с исходным кодом LineageOS: tar -xvf CompileLineageOS17-1-Amber-v1.tar.gz -C ~/android/lineage/ ## Важные требования к компиляции: Для успешного завершения сборки без ошибок OutOfMemory выполните перед запуском: export _JAVA_OPTIONS="-Xmx4g -Xms1g -XX:+UseG1GC" export NINJA_ARGS="-j2" export MAKEFLAGS="-j2" export WITHOUT_CHECK_API=true ## 8GB RAM пишем в 113000 этапе компиляции export _JAVA_OPTIONS="-Xmx4g" и mka bacon -j2 ## breakfast Amber ## Запуск сборки: brunch Amber ## Use this for change lineageos_Amber_defconfig - make ARCH=arm64 CROSS_COMPILE=aarch64-linux-gnu- lineageos_Amber_defconfig menuconfig
amber
A Crystal web framework that makes building applications fast
WPF Docking Library
A WPF Docking Library to easly integrate windows docking functionalities like VS. (THIS PROJECT HAS BEEN REPLACED BY AVALONDOCK PROJECT THAT YOU CAN FIND AT WWW.CODEPLEX.COM/AVALONDOCK)
Jupyter Dock
Perform molecular docking protocols interactively
amber: a granular sampling tool
Amber is an easy-to-use, multi-faceted granular sampling tool for composers wishing to construct timbrally complex sounds; available as a command-line tool for Linux-similar operating systems, or with a Cocoa wrapper that runs on Macintosh OS X.